2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine

C18H16N4S — CID 24880914

IUPAC2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
SMILESCCc1cnn(-c2cccc(C)n2)c1-c1cc2cnccc2s1
InChIInChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3
InChIKeyNIQVUPWBHUGPKD-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.41
Rot. Bonds3

About 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine

2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine (PubChem CID 24880914) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
PubChem CID24880914
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
SMILESCCc1cnn(-c2cccc(C)n2)c1-c1cc2cnccc2s1
InChIInChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3
InChIKeyNIQVUPWBHUGPKD-UHFFFAOYSA-N
XLogP4.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
5,6-Dimethyl-4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}thieno[2,3-d]pyrimidine
CID 3613241
N-cyclopropyl-4-(6-(thiophen-2-yl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 10286648
3-bromo-N-(pyridin-3-ylmethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10475216
5-(Piperidin-3-yl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224363
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224366
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224565
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The IUPAC name of 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine (CID 24880914) is 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine is CCc1cnn(-c2cccc(C)n2)c1-c1cc2cnccc2s1.
What is the InChIKey of 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The InChIKey is NIQVUPWBHUGPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3.
What are the key properties of 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine has a molecular weight of 320.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 24880914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).